Geometry & MOs

Info

ID:	63235
PubChem CID:	26750260
Reduced:	BrNSO6C15H18 (1)
Stoich.:	ABCD6E15F18 (1)
Weight, g/mol:	420.03208
ΔH_f, kcal/mol:	-202.61
Dipole, Da:	7.55
IP(EA), eV:	-9.48(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)OC(=O)/C=C/C2=CC=C(O2)Br

DOS

IR

Vibrations